General Information of the Compound
| Compound ID |
CP0076530
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| Compound Name |
methyl 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
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| Structure |
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| Formula |
C12H12N2O2S3
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| Molecular Weight |
312.441
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| Canonical SMILES |
COC(=O)CSc1nnc(SCc2ccccc2)s1
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| InChI |
InChI=1S/C12H12N2O2S3/c1-16-10(15)8-18-12-14-13-11(19-12)17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
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| InChIKey |
CBFISGCLKMAGPK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound